2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide

C10H14Br2N2O2S — CID 120824924

IUPAC2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H14Br2N2O2S/c1-7(13-2)6-14-17(15,16)10-5-8(11)3-4-9(10)12/h3-5,7,13-14H,6H2,1-2H3
InChIKeyYDUDRTPXKRIGMH-UHFFFAOYSA-N
MW386.11 g/mol
LogP2.10
Rot. Bonds5

About 2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide

2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 120824924) has the molecular formula C10H14Br2N2O2S and a molecular weight of 386.11 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID120824924
Molecular FormulaC10H14Br2N2O2S
Molecular Weight386.11 g/mol
Exact Mass383.91
IUPAC Name2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H14Br2N2O2S/c1-7(13-2)6-14-17(15,16)10-5-8(11)3-4-9(10)12/h3-5,7,13-14H,6H2,1-2H3
InChIKeyYDUDRTPXKRIGMH-UHFFFAOYSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.11
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824508
2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825163
5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824611
2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide
CID 114295168
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
2,5-dibromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297785
N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
CID 55169700
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide
CID 114294646
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide
CID 82715356

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide (CID 120824924) is 2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is YDUDRTPXKRIGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O2S/c1-7(13-2)6-14-17(15,16)10-5-8(11)3-4-9(10)12/h3-5,7,13-14H,6H2,1-2H3.
What are the key properties of 2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide?
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 386.11 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 120824924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).